Ethyl 2,2-difluoropropanoate

Base Information

• Chemical Name: Ethyl 2,2-difluoropropanoate
• CAS No.: 28781-85-3
• Molecular Formula: C5H8F2O2
• Molecular Weight: 138.114
• Hs Code.: 2915900090
• European Community (EC) Number: 674-496-8
• DSSTox Substance ID: DTXSID50375614
• Nikkaji Number: J681.086A
• Wikidata: Q72464112
• Mol file: 28781-85-3.mol

Synonyms:28781-85-3;ethyl 2,2-difluoropropanoate;2,2-difluoropropionic acid ethyl ester;Ethyl 2,2-difluoropropionate;Propanoic acid, 2,2-difluoro-, ethyl ester;MFCD06657970;2,2-Difluoro-propionic acid ethyl ester;2,2-difluoropropanoate;2,2-Difluoropropionic acid ethylester;ethyl difluoropropionate;Ethyl 2,2 difluoropropionate;SCHEMBL776347;AMY1269;DTXSID50375614;Difluoropropionic acid ethyl ester;ETHYL2,2-DIFLUOROPROPIONATE;BCP10917;BBL102322;STL556122;AKOS005063331;CS-W004259;FS-3890;PB42465;SY031452;E1350;FT-0678010;EN300-200735;A819588;J-506798;Z1201623583

Chemical Property of Ethyl 2,2-difluoropropanoate

Chemical Property:

• Refractive Index: 1.351
• Boiling Point: 97.2 °C at 760 mmHg
• Flash Point: 13.4 °C
• PSA: 26.30000
• Density: 1.1 g/cm³
• LogP: 1.20470
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 138.04923582
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%, ^*data from raw suppliers

2,2-Difluoropropionicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(F)F
• Uses: Ethyl 2,2-difluoropropionate is used as organic synthesis and pharmaceutical intermediates.

Technology Process of Ethyl 2,2-difluoropropanoate

There total 8 articles about Ethyl 2,2-difluoropropanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.4%

2-oxo-propionic acid ethyl ester (617-35-6) → ethyl 2,2-difluoropropanoate (28781-85-3)

Guidance literature:

With (bis-(2-methoxyethyl)amino)sulfur trufluoride; at -15 - 30 ℃;

Reference yield: 78.0%

2-oxo-propionic acid ethyl ester (617-35-6) + dimethylaminosulphur trifluoride → ethyl 2,2-difluoropropanoate (28781-85-3)

Guidance literature:

Reference yield: 64.0%

ethyl 2-bromo-2-fluoropropionate (108221-67-6) → 2,2-difluoropropanoic acid (373-96-6) + ethyl 2-fluoroacrylate (760-80-5) + ethyl 2,2-difluoropropanoate (28781-85-3)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; pyridine hydrogenfluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 20 ℃; for 48h; Cooling with ice;

upstream raw materials:

ethanol

2-Fluor-propionyl-fluorid

2-oxo-propionic acid ethyl ester

diethylamino-sulfur trifluoride

Downstream raw materials:

α,α-difluoro-p-methoxypropiophenone

2,2-Difluoro-1-[4-(4-heptyl-cyclohexyl)-phenyl]-propan-1-one

2,2-Difluoro-1-[4-(4'-propyl-bicyclohexyl-4-yl)-phenyl]-propan-1-one

2,2-Difluoro-1-[4'-(4-pentyl-cyclohexyl)-biphenyl-4-yl]-propan-1-one

Refernces

• 1、 -. "METHOD FOR PREPARING FLUOROORGANIC COMPOUNDS". Paragraph 0153. . Retrieved 2020/08/12.
• 2、 Roman, Raquel,Navarro, Antonio,Wodka, Dariusz,Alvim-Gaston, Maria,Husain, Saba,Franklin, Natalie,Simon-Fuentes, Antonio,Fustero, Santos. "Synthesis of fluorinated and nonfluorinated tebufenpyrad analogues for the study of anti-angiogenesis MOA". . p. 1027 - 1036. Retrieved 2014/10/15.